Chemical Properties of DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, undecyl ester

DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, undecyl ester

InChI
InChI=1S/C21H40ClNO4/c1-5-6-7-8-9-10-11-12-13-16-26-20(24)19(18(2)3)23(4)21(25)27-17-14-15-22/h18-19H,5-17H2,1-4H3
InChI Key
QLKPDDHXROUQQJ-UHFFFAOYSA-N
Formula
C21H40ClNO4
SMILES
CCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCl
Molecular Weight1
406.00
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Physical Properties

Property Value Unit Source
ΔfH°gas -1076.98 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 55.89 kJ/mol Joback Calculated Property
ΔvapH° 110.85 kJ/mol Relay (1.0) Calculated Property
log10WS -5.39 Relay (1.0) Calculated Property
logPoct/wat 5.782 Crippen Calculated Property
McVol 343.850 ml/mol McGowan Calculated Property
Inp [2600.00; 2600.00]   Show Hide
Inp 2600.00 NIST
Inp 2600.00 NIST
Tboil 624.38 K Relay (1.0) Calculated Property
Tfus 290.39 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1106.35; 1196.08] J/mol×K [881.45; 1079.29] Show Hide
Cp,gas 1106.35 J/mol×K 881.45 Joback Calculated Property
Cp,gas 1124.29 J/mol×K 914.42 Joback Calculated Property
Cp,gas 1140.99 J/mol×K 947.40 Joback Calculated Property
Cp,gas 1156.49 J/mol×K 980.37 Joback Calculated Property
Cp,gas 1170.81 J/mol×K 1013.34 Joback Calculated Property
Cp,gas 1184.00 J/mol×K 1046.32 Joback Calculated Property
Cp,gas 1196.08 J/mol×K 1079.29 Joback Calculated Property

Similar Compounds

DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentadecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, tetradecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, dodecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, hexadecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, tridecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, nonyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, heptyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, octyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, heptadecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, octadecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, decyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentyl ester. DL-Valine, N-methyl-N-decyloxycarbonyl-, undecyl ester. DL-Valine, N-methyl-N-octyloxycarbonyl-, dodecyl ester. DL-Valine, N-methyl-N-decyloxycarbonyl-, tetradecyl ester.

Find more compounds similar to DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, undecyl ester.

Sources

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